[(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane

C26H36NO3PSi — CID 101004978

IUPAC[(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane
SMILESCOc1ccc(C(c2nc(-c3ccccc3)oc2O[Si](C)(C)C)P(C(C)C)C(C)C)cc1
InChIInChI=1S/C26H36NO3PSi/c1-18(2)31(19(3)4)24(20-14-16-22(28-5)17-15-20)23-26(30-32(6,7)8)29-25(27-23)21-12-10-9-11-13-21/h9-19,24H,1-8H3
InChIKeyNFOVLHYUKFONFR-UHFFFAOYSA-N
MW469.64 g/mol
LogP7.95
Rot. Bonds9

About [(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane

[(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane (PubChem CID 101004978) has the molecular formula C26H36NO3PSi and a molecular weight of 469.64 g/mol. Its IUPAC name is [(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane
PubChem CID101004978
Molecular FormulaC26H36NO3PSi
Molecular Weight469.64 g/mol
Exact Mass469.22
IUPAC Name[(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane
SMILESCOc1ccc(C(c2nc(-c3ccccc3)oc2O[Si](C)(C)C)P(C(C)C)C(C)C)cc1
InChIInChI=1S/C26H36NO3PSi/c1-18(2)31(19(3)4)24(20-14-16-22(28-5)17-15-20)23-26(30-32(6,7)8)29-25(27-23)21-12-10-9-11-13-21/h9-19,24H,1-8H3
InChIKeyNFOVLHYUKFONFR-UHFFFAOYSA-N
XLogP7.95
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.64
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(4-fluorophenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane
CID 101004979
2-phenyl-4-propan-2-yl-5-propan-2-yloxy-1,3-oxazole
CID 25215073
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51336962
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
3-[(4-methoxyphenoxy)methyl]-5-phenyl-1,2,4-oxadiazole
CID 42692255
(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanamine
CID 142052737
5-phenyl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 42692252
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
5-[(4-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole
CID 102463231
1-methoxy-4-(4-phenylbut-3-yn-2-yl)benzene
CID 53349236
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
2-(4-methoxyphenyl)-4-[(4-phenoxyphenyl)methyl]-5-phenyl-1,3-oxazole
CID 172549607

Frequently Asked Questions

What is the IUPAC name of [(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane?
The IUPAC name of [(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane (CID 101004978) is [(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane.
What is the SMILES notation for [(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane?
The canonical SMILES for [(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane is COc1ccc(C(c2nc(-c3ccccc3)oc2O[Si](C)(C)C)P(C(C)C)C(C)C)cc1.
What is the InChIKey of [(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane?
The InChIKey is NFOVLHYUKFONFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36NO3PSi/c1-18(2)31(19(3)4)24(20-14-16-22(28-5)17-15-20)23-26(30-32(6,7)8)29-25(27-23)21-12-10-9-11-13-21/h9-19,24H,1-8H3.
What are the key properties of [(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane?
[(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane has a molecular weight of 469.64 g/mol, XLogP of 7.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxyphenyl)-(2-phenyl-5-trimethylsilyloxy-1,3-oxazol-4-yl)methyl]-di(propan-2-yl)phosphane is sourced from PubChem (CID 101004978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).